Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

Molecular Image
InChI InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27-/m0/s1
SMILES CC(CCCC(C1CCC2C1(C)CCC1C2CC([C@@]2(C1(C)CCC(C2)O)O)O)C)C
InChI Key YMMFNKXZULYSOQ-KKBCKPMXSA-N
Exact Mass 420.668 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YMMFNKXZULYSOQ-KKBCKPMXSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/YMMFNKXZULYSOQ-KKBCKPMXSA-N/CHMO0001150
Version
Author Jean-Marie Lehn
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-05-18T07:21:58Z
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL4741906 chembl
2825542 pubchem
Molport-002-911-121 molport
The data in this table is sourced from UniChem at EBI.